SCHEMBL4385748

SCHEMBL4385748

CN(C)c1nccc(N2CCC(CN3C(=O)CN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)CC3C(=O)O)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1386661 0.93 F10 (0.47) F10
SCHEMBL1385994 0.91 F10 (0.44) F10
SCHEMBL1385202 0.88 F10 (0.43) F10
SCHEMBL1385907 0.85 F10 (0.54) F10
SCHEMBL4397700 0.83 F10 (0.39) F10
SCHEMBL1384845 0.78 F10 (0.49) F10
SCHEMBL1385845 0.78 KCNH2 (0.46) F10
SCHEMBL1386867 0.77 F10 (0.55) F10
SCHEMBL1386823 0.76 KCNH2 (0.52) F10
SCHEMBL1384724 0.76 KCNH2 (0.39) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed